(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol

C6H15NO2 — CID 55298734

IUPAC(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@@H](C)CO
InChIInChI=1S/C6H15NO2/c1-5(4-8)7-3-6(2)9/h5-9H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyKNMBQWZVFYSZCC-NTSWFWBYSA-N
MW133.19 g/mol
LogP-0.66
Rot. Bonds4

About (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol

(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol (PubChem CID 55298734) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
PubChem CID55298734
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@@H](C)CO
InChIInChI=1S/C6H15NO2/c1-5(4-8)7-3-6(2)9/h5-9H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyKNMBQWZVFYSZCC-NTSWFWBYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol (CID 55298734) is (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol is C[C@@H](O)CN[C@@H](C)CO.
What is the InChIKey of (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol?
The InChIKey is KNMBQWZVFYSZCC-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(4-8)7-3-6(2)9/h5-9H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol?
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol has a molecular weight of 133.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 55298734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).